CFam Chemical Families Database
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You are searching for "CFAMM00376662" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00376662
Family CFFBM7037 Bifunctional epoxide hydrolase 2 inhibitor AGN-PC-088O2I family
Superfamily CFSBM4006 Bifunctional epoxide hydrolase 2 Binder Superfamily 8
Class CFCCD537 Class 1350
External ID CHEMBL1632486 External Source CHEMBL
PubChem CID 49850788 Functional Category Bioactive
Molecule Name AGN-PC-088O54
IUPAC Name 1-(1-adamantyl)-3-[3-[4-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]butoxy]phenyl]urea
Synonyms CHEBI:1155624;1-(1-adamantyl)-3-[3-[4-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]butoxy]phenyl]urea
InChi InChI=1S/C33H41F3N4O3/c34-33(35,36)27-8-6-26(7-9-27)30(41)40-13-11-39(12-14-40)10-1-2-15-43-29-5-3-4-28(19-29)37-31(42)38-32-20-23-16-24(21-32)18-25(17-23)22-32/h3-9,19,23-25H,1-2,10-18,20-22H2,(H2,37,38,42)
InChiKey OVZSVZAKIFUAKO-UHFFFAOYSA-N
Formula C33H41F3N4O3 Molecular Weight 598.70
Cross Link CHEMBL1632486
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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